Geometry & MOs

Info

ID:	322861
PubChem CID:	126671483
Reduced:	SN4O4C27H38 (1)
Stoich.:	AB4C4D27E38 (1)
Weight, g/mol:	484.222289
ΔH_f, kcal/mol:	-174.76
Dipole, Da:	4.72
IP(EA), eV:	-9.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[3-(1-hydroxyethyl)-5-pyridin-3-ylindazol-1-yl]acetyl]-N-(6-methylpyridin-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C(C)(C)C)O

DOS

IR

Vibrations